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Vincosamide

CAT: 0013-GTR19158003-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158003-01Size:100 mg
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Description
Vincosamide, an alkaloid from Psychotria leiocarpa extract, inhibits the acetylcholinesterase (AChE) activity with anti-inflammatory activity.
CAS Number
23141-27-7
Purity
>98% (HPLC)
Smiles
[H][C@@]1 (C[C@]2 ([H]) C3=CO[C@@H] (O[C@]4 ([H]) O[C@H] (CO) [C@@H] (O) [C@H] (O) [C@H]4O) [C@@H]2C=C) C5=C (C6=CC=CC=C6N5) CCN1C3=O
Molecular Formula
C??H??N?O?
Molecular Weight
498.53
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Vincoside Lactam

Vincoside lactam has been reported in Uncaria sinensis and Rauvolfia serpentina with data available.

CAS Number23141-27-7
PubChem CID44567645
IUPAC Name(1S,19R,20S)-19-ethenyl-18-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-2(10),4,6,8,15-pentaen-14-one
Molecular FormulaC26H30N2O8
Molecular Weight498.5
XLogP0.4
Topological Polar Surface Area145
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count36
Formal Charge0
Complexity899
SMILES
C=C[C@@H]1[C@@H]2C[C@H]3C4=C(CCN3C(=O)C2=COC1O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C6=CC=CC=C6N4
InChI
InChI=1S/C26H30N2O8/c1-2-12-15-9-18-20-14(13-5-3-4-6-17(13)27-20)7-8-28(18)24(33)16(15)11-34-25(12)36-26-23(32)22(31)21(30)19(10-29)35-26/h2-6,11-12,15,18-19,21-23,25-27,29-32H,1,7-10H2/t12-,15+,18+,19-,21-,22+,23-,25?,26+/m1/s1
InChIKey
LBRPLJCNRZUXLS-KUPDLJLDSA-N
Chemical Structure
2D Structure
2D structure of Vincoside Lactam
CAS: 23141-27-7
CID: 44567645
Formula: C26H30N2O8
MW: 498.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight498.5
XLogP30.4
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass498.20021592
Monoisotopic Mass498.20021592
Topological Polar Surface Area145 Ų
Heavy Atom Count36
Formal Charge0
Complexity899
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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